CID 15959235

Benzotriazol-1-yl 2-aminobenzoate

Structural Information

Molecular Formula
C13H10N4O2
SMILES
C1=CC=C(C(=C1)C(=O)ON2C3=CC=CC=C3N=N2)N
InChI
InChI=1S/C13H10N4O2/c14-10-6-2-1-5-9(10)13(18)19-17-12-8-4-3-7-11(12)15-16-17/h1-8H,14H2
InChIKey
JPKNQONFNZKKLX-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl 2-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

254.08037 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08765 154.0
[M+Na]+ 277.06959 164.3
[M-H]- 253.07309 158.4
[M+NH4]+ 272.11419 169.1
[M+K]+ 293.04353 159.9
[M+H-H2O]+ 237.07763 144.6
[M+HCOO]- 299.07857 176.8
[M+CH3COO]- 313.09422 166.4
[M+Na-2H]- 275.05504 161.0
[M]+ 254.07982 155.8
[M]- 254.08092 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe